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Compound InformationSONAR Target prediction
Name:

Metaproterenol hemisulfate

Unique Identifier:LOPAC 01034
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H36N2O10S
Molecular Weight:484.309 g/mol
X log p:5.855  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.OS(O)(=O)=O
Class:Adrenoceptor
Action:Agonist
Selectivity:beta2

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: DEP1
Replicates: 2
Raw OD Value: r im 0.6194±0.0116673
Normalized OD Score: sc h 1.0264±0.00594725
Z-Score: 1.0914±0.293172
p-Value: 0.285326
Z-Factor: -1.06377
Fitness Defect: 1.2541
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:10|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-16 YYYY-MM-DD
Plate CH Control (+):0.0392±0.00130
Plate DMSO Control (-):0.590575±0.00799
Plate Z-Factor:0.9457
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DBLink | Rows returned: 4
31620 [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-tert-butyl-azanium sulfate
441333 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid
441334 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid
657301 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid

internal high similarity DBLink | Rows returned: 4
JFD 01582 0.9016
SPE01500390 0.9032
LOPAC 01240 1.0000
SPE01500558 1.0000

nonactive | Cluster 17428 | Additional Members: 9 | Rows returned: 72 Next >> 
SPE01503917 0.476190476190476
Prest761 0.476190476190476
SPE01500390 0.41025641025641
Prest845 0.41025641025641
Prest598 0
SPE01500558 0

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